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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase A' and Ligand = 'BDBM285711'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))
BDBM285711
PNG
(US10077289, Compound 19 | [(2S,3R,4R)-3-Hydroxy-4-...)
Show SMILES CC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)CCCc2cn3CCCCc3n2)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C
Show InChI InChI=1S/C69H121N13O12/c1-25-49-65(90)75(18)47(17)64(89)76(19)51(34-39(4)5)61(86)74-55(42(10)11)68(93)77(20)50(33-38(2)3)60(85)70-45(15)59(84)71-46(16)63(88)78(21)52(35-40(6)7)66(91)79(22)53(36-41(8)9)67(92)80(23)56(43(12)13)69(94)81(24)57(62(87)73-49)58(83)44(14)29-28-30-48-37-82-32-27-26-31-54(82)72-48/h37-47,49-53,55-58,83H,25-36H2,1-24H3,(H,70,85)(H,71,84)(H,73,87)(H,74,86)/t44-,45?,46?,47-,49?,50?,51+,52?,53?,55?,56?,57-,58-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
5.40n/an/an/an/an/an/a7.8n/a



Allergan, Inc.

US Patent


Assay Description
The protease-free PPIase assay measures the rate of cis to trans conversion of a peptide substrate catalyzed by the enzyme cyclophilin A. Addition of...


US Patent US10077289 (2018)

More data for this
Ligand-Target Pair